(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone

C17H18N2O2S — CID 649299

IUPAC(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C17H18N2O2S/c20-16(15-4-2-8-22-15)19-13-5-6-14(19)10-17(21,9-13)12-3-1-7-18-11-12/h1-4,7-8,11,13-14,21H,5-6,9-10H2
InChIKeyAZGZTHFXQSREDM-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.80
Rot. Bonds2

About (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone

(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone (PubChem CID 649299) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone
PubChem CID649299
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C2CCC1CC(O)(c1cccnc1)C2
InChIInChI=1S/C17H18N2O2S/c20-16(15-4-2-8-22-15)19-13-5-6-14(19)10-17(21,9-13)12-3-1-7-18-11-12/h1-4,7-8,11,13-14,21H,5-6,9-10H2
InChIKeyAZGZTHFXQSREDM-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone with MolForge

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Related Compounds

(4R,5R)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 9947211
(3-Hydroxy-3-(((5-methylpyridin-2-yl)methylamino)methyl)-8-azabicyclo[3.2.1]octan-8-yl)(thiophen-3-yl)methanone
CID 52943589
(4S,5S)-5-[(S)-hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 57391071
2-({2-[2-(2-Thienyl)ethyl]piperidin-1-yl}methyl)nicotinic acid
CID 50984513
2-{[4-Hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]carbonyl}thiophene-3-sulfonamide
CID 56749707
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-2-ylmethanone
CID 97419529
4-(5-Methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-4-piperidinol
CID 72876539
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-[5-(3-methyl-4-pyridinyl)thiophen-2-yl]methanone
CID 137979217
[5-(4,5-dihydro-3H-pyrazol-4-yl)thiophen-3-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 123180258
(2-Fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 3230860
(4-Fluorophenyl)-(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 3230862
(2-fluorophenyl)-[(1S,5R)-3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 95799343

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone (CID 649299) is (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1C2CCC1CC(O)(c1cccnc1)C2.
What is the InChIKey of (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone?
The InChIKey is AZGZTHFXQSREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(15-4-2-8-22-15)19-13-5-6-14(19)10-17(21,9-13)12-3-1-7-18-11-12/h1-4,7-8,11,13-14,21H,5-6,9-10H2.
What are the key properties of (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone?
(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone has a molecular weight of 314.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 649299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).